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Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(CCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=C(C=CC(=C5)C(O)=O)[C@H]4CC[C@]23C)C=C1

InChIKey

InChIKey=BERTVOVXLDNRTN-KPTFLJRUSA-N

Formula

C29H34O4

Mass

446.587

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroid acids

Intermediate Tree Nodes

3-carboxy steroids

Direct Parent

3-carboxy-20-oxosteroids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

3-carboxy-20-oxosteroid - 20-oxosteroid - Oxosteroid - Estrane-skeleton - Phenanthrene - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - Tetralin - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-carboxy-20-oxosteroids. These are steroid compounds that carry a carboxyl group and a C=O group at the C3- and C20-positions of the steroid backbone, respectively.

External Descriptors

Not available

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